Combined local-density and dynamical mean field theory calculations for the compressed lanthanides Ce, Pr, and Nd

Details Combined local-density and dynamical mean field theory calculations for the compressed lanthanides Ce, Pr, and Nd Combined local-density and dynamical mean field theory calculations for the compressed lanthanides Ce, Pr, and Nd

2005-04-15

arxiv.org/abs/cond-mat/0504380v1

Physics

Condensed Matter

Strongly Correlated Electrons

15 pages, 9 figures

Scientific paper

10.1103/PhysRevB.72.115125

This paper reports calculations for compressed Ce (4f^1), Pr (4f^2), and Nd
(4f^3) using a combination of the local-density approximation (LDA) and
dynamical mean field theory (DMFT), or LDA+DMFT. The 4f moment, spectra, and
the total energy among other properties are examined as functions of volume and
atomic number for an assumed face-centered cubic (fcc) structure.

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